Information card for entry 7042876

Structure parameters

• Formula: C32 H80 K2 N6 Si4
• Calculated formula: C32 H80 K2 N6 Si4
• SMILES: [K]12([N]([Si](C)(C)C)([Si](C)(C)C)[K]3([N]1([Si](C)(C)C)[Si](C)(C)C)[N](C)(C)[C@H]1[C@H]([N]3(C)C)CCCC1)[N](C)(C)[C@H]1[C@H]([N]2(C)C)CCCC1
• Title of publication: Exploring the solid state and solution structural chemistry of the utility amide potassium hexamethyldisilazide (KHMDS)
• Authors of publication: Ojeda-Amador, Ana I.; Martínez-Martínez, Antonio J.; Robertson, Gemma M.; Robertson, Stuart D.; Kennedy, Alan R.; O'Hara, Charles T.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 11.8251 ± 0.0002 Å
• b: 11.9313 ± 0.0003 Å
• c: 32.6567 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4607.5 ± 0.18 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No